1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile

C10H10N2S — CID 172625573

IUPAC1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCc1ncc(C2(C#N)CC2)cc1S
InChIInChI=1S/C10H10N2S/c1-7-9(13)4-8(5-12-7)10(6-11)2-3-10/h4-5,13H,2-3H2,1H3
InChIKeyOBALKKLHJDISQI-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.23
Rot. Bonds1

About 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile

1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 172625573) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID172625573
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCc1ncc(C2(C#N)CC2)cc1S
InChIInChI=1S/C10H10N2S/c1-7-9(13)4-8(5-12-7)10(6-11)2-3-10/h4-5,13H,2-3H2,1H3
InChIKeyOBALKKLHJDISQI-UHFFFAOYSA-N
XLogP2.23
TPSA36.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile (CID 172625573) is 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile is Cc1ncc(C2(C#N)CC2)cc1S.
What is the InChIKey of 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is OBALKKLHJDISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-9(13)4-8(5-12-7)10(6-11)2-3-10/h4-5,13H,2-3H2,1H3.
What are the key properties of 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile?
1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 172625573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).